For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
16,16-Dichloro-6,13-dihydro-15-oxo-6,13-epithiomethanopentacene
SpectraBase Compound ID 2UvWV2yAxmS
InChI InChI=1S/C23H14Cl2OS/c24-23(25)21-17-9-13-5-1-3-7-15(13)11-19(17)22(27(23)26)20-12-16-8-4-2-6-14(16)10-18(20)21/h1-12,21-22H/t21-,22+,27?
InChIKey NSMGWZZCRHIHDI-RRZWQVKKSA-N
Mol Weight 409.33 g/mol
Molecular Formula C23H14Cl2OS
Exact Mass 408.014242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BZI9Ph3CXvZ
Name 16,16-Dichloro-6,13-dihydro-15-oxo-6,13-epithiomethanopentacene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H14Cl2OS
InChI InChI=1S/C23H14Cl2OS/c24-23(25)21-17-9-13-5-1-3-7-15(13)11-19(17)22(27(23)26)20-12-16-8-4-2-6-14(16)10-18(20)21/h1-12,21-22H/t21-,22+,27?
InChIKey NSMGWZZCRHIHDI-RRZWQVKKSA-N
Molecular Weight 409.330 g/mol
SMILES C1([S@@]([C@@]2(c3cc4ccccc4cc3[C@]1(c1cc3ccccc3cc21)[H])[H])=O)(Cl)Cl
SPLASH splash10-004i-0092100000-811f9d942510145844ec
Source of Spectrum F-66-6893-6
Wiley ID 1684472